CryoFold: Ab-initio structure determination from electron density maps using molecular dynamics
M. Shekhar, G. Terashi, C. Gupta, D. Sarkar, G. Debussche, N. Sisco, J. Nguyen, A. Mondal, J. Zook, J. Vant, P. Fromme, W. D. van Horn, D. Kihara, E. Tajkhorshid, K. Dill, , A. Singharoy
CryoFold determines protein structures from electron density maps using molecular dynamics and physical knowledge, producing ensembles of low-energy conformations validated experimentally.
bioRxiv · Aug 3, 2020 · PreprintBiophysics